3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-(cyclobutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-(cyclobutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methoxy]-5-(cyclobutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-[[(cyclobutylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-(cyclobutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)oxy-5-(cyclobutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H15BrFN3O4S MolecularWeight: 444.275403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3)Br)F)C(=O)O

Isomeric SMILES

C1CC(C1)NC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3)Br)F)C(=O)O

InChI

InChI=1S/C16H15BrFN3O4S/c17-9-5-4-8(11(18)6-9)7-25-13-12(15(22)23)14(26-21-13)20-16(24)19-10-2-1-3-10/h4-6,10H,1-3,7H2,(H,22,23)(H2,19,20,24)